N-cyclooctyl-2H-chromene-3-carboxamide

C18H23NO2 — CID 22578430

IUPACN-cyclooctyl-2H-chromene-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H23NO2/c20-18(19-16-9-4-2-1-3-5-10-16)15-12-14-8-6-7-11-17(14)21-13-15/h6-8,11-12,16H,1-5,9-10,13H2,(H,19,20)
InChIKeyRRDQQHVBAQHSRS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds2

About N-cyclooctyl-2H-chromene-3-carboxamide

N-cyclooctyl-2H-chromene-3-carboxamide (PubChem CID 22578430) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclooctyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2H-chromene-3-carboxamide
PubChem CID22578430
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-cyclooctyl-2H-chromene-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H23NO2/c20-18(19-16-9-4-2-1-3-5-10-16)15-12-14-8-6-7-11-17(14)21-13-15/h6-8,11-12,16H,1-5,9-10,13H2,(H,19,20)
InChIKeyRRDQQHVBAQHSRS-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9043314
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[2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2H-chromene-3-carboxylate
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N-methyl-2H-chromene-3-carboxamide
CID 13029267
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745772
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 1444651
N-cyclohexyl-1-benzoxepine-4-carboxamide
CID 16648766
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
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[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2H-chromene-3-carboxamide?
The IUPAC name of N-cyclooctyl-2H-chromene-3-carboxamide (CID 22578430) is N-cyclooctyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-cyclooctyl-2H-chromene-3-carboxamide is O=C(NC1CCCCCCC1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-cyclooctyl-2H-chromene-3-carboxamide?
The InChIKey is RRDQQHVBAQHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18(19-16-9-4-2-1-3-5-10-16)15-12-14-8-6-7-11-17(14)21-13-15/h6-8,11-12,16H,1-5,9-10,13H2,(H,19,20).
What are the key properties of N-cyclooctyl-2H-chromene-3-carboxamide?
N-cyclooctyl-2H-chromene-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).